4-[4-(3-chlorophenyl)-5-(3,3-diphenylpropoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl] piperazine-1-carboxylic acid-t-butyl ester

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[4-(3-chlorophenyl)-5-(3,3-diphenylpropoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl] piperazine-1-carboxylic acid-t-butyl ester
• 英文别名: t-butyl 4-(4-(3-chlorophenyl)-5-(3,3-diphenylpropoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl)piperazine-1-carboxylate；4-(4-(3-Chlorophenyl)-5-(3,3-diphenylpropoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl) piperazine-1-carboxylic acid-t-butyl ester；tert-butyl 4-[4-(3-chlorophenyl)-5-(3,3-diphenylpropoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl]piperazine-1-carboxylate
• 化学式: C₃₉H₄₄ClN₃O₅
• 分子量: 670.248
• InChiKey: OPJBVPQDQKCEFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  48
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  88.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-[4-(3-chlorophenyl)-5-(3,3-diphenylpropoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl] piperazine-1-carboxylic acid-t-butyl ester 在 三氟乙酸 、 碳酸氢钠 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 2.5h， 以100%的产率得到4-(3-chlorophenyl)-2,6-dimethyl-5-(piperazine-1-carbonyl)nicotinic acid (3,3-diphenylpropyl)-ester
  参考文献：
  名称：

  Pyrimidine derivatives and new pyridine derivatives

  摘要：

  Achirai嘧啶衍生物和以下结构式或其类似物的吡啶衍生物具有选择性N型钙通道拮抗活性，并在口服时显示镇痛作用。它们可用作与N型钙通道相关的疼痛和各种疾病的治疗药物。

  公开号：

  US20040009991A1
• 作为产物：
  描述：

  4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid mono (3,3-diphenylpropyl) ester 、 N-Boc-哌嗪 在 盐酸 、 4-二甲氨基吡啶 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 4-[4-(3-chlorophenyl)-5-(3,3-diphenylpropoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl] piperazine-1-carboxylic acid-t-butyl ester
  参考文献：
  名称：

  NOVEL PYRIMIDINE DERIVATIVE AND NOVEL PYRIDINE DERIVATIVE

  摘要：

  非手性嘧啶衍生物和以下结构式或其类似物的吡啶衍生物具有选择性N型钙通道拮抗活性，并且当口服时表现出镇痛作用。它们可用作与N型钙通道相关的疼痛和各种疾病的治疗药物。

  公开号：

  EP1318147A1

文献信息

• NOVEL PYRIMIDINE DERIVATIVE AND NOVEL PYRIDINE DERIVATIVE
  申请人：Ajinomoto Co., Inc.

  公开号：EP1318147A1

  公开（公告）日：2003-06-11

  Achiral pyrimidine derivatives and pyridine derivatives of the following formulae or analogs thereof have selective N-type calcium channel antagonistic activity and showed analgesic action when they were taken orally. They are useful as therapeutic agents for pains and various diseases associated with the N-type calcium channels.

  非手性嘧啶衍生物和以下结构式或其类似物的吡啶衍生物具有选择性N型钙通道拮抗活性，并且当口服时表现出镇痛作用。它们可用作与N型钙通道相关的疼痛和各种疾病的治疗药物。
• Dihydropyridine derivatives
  申请人：AJINOMOTO CO. INC

  公开号：US20020147222A1

  公开（公告）日：2002-10-10

  Compounds having a selective N-type calcium channel antagonistic activity are provided. Dihydropyridine derivatives represented by the following formula: 1 analogs thereof and pharmaceutically acceptable salts thereof have an activity of selectively inhibiting the action of N-type calcium channel, and they are used as therapeutic agents for various diseases relating to N-type calcium channel.

  提供具有选择性N型钙通道拮抗活性的化合物。以下式表示的二氢吡啶衍生物：1的类似物及其药用盐具有选择性抑制N型钙通道作用的活性，它们可用作与N型钙通道相关的各种疾病的治疗剂。
• NEW PYRIMIDINE DERIVATIVES AND NEW PYRIDINE DERIVATIVES
  申请人：OHNO Seiji

  公开号：US20080070903A1

  公开（公告）日：2008-03-20

  Achiral pyrimidine derivatives and pyridine derivatives of the following formulae or analogs thereof have selective N-type calcium channel antagonistic activity and showed analgesic action when they were taken orally. They are useful as therapeutic agents for pains and various diseases associated with the N-type calcium channels.

  以下式子或其类似物的非手性嘧啶衍生物和吡啶衍生物具有选择性N型钙通道拮抗活性，并且口服时表现出镇痛作用。它们可用作治疗与N型钙通道相关的疼痛和各种疾病的治疗剂。
• Pyrimidine compounds useful as N-type calcium channel antagonists
  申请人：Ajinomoto Co., Inc.

  公开号：US07288544B2

  公开（公告）日：2007-10-30

  Achiral pyrimidine derivatives and pyridine derivatives of the following formulae or analogs thereof have selective N-type calcium channel antagonistic activity and showed analgesic action when they were taken orally. They are useful as therapeutic agents for pains and various diseases associated with the N-type calcium channels

  以下式子或其类似物的无手性嘧啶衍生物和吡啶衍生物具有选择性N型钙通道拮抗活性，并且口服时表现出镇痛作用。它们可用作治疗与N型钙通道相关的疼痛和各种疾病的治疗剂。
• Pyridine compounds useful as N-type calcium channel antagonists
  申请人：Ajinomoto Co., Inc.

  公开号：US07494989B2

  公开（公告）日：2009-02-24

  Achiral pyrimidine derivatives and pyridine derivatives of the following formulae or analogs thereof have selective N-type calcium channel antagonistic activity and showed analgesic action when they were taken orally. They are useful as therapeutic agents for pains and various diseases associated with the N-type calcium channels.

  以下公式或其类似物的无手性嘧啶衍生物和吡啶衍生物具有选择性N型钙通道拮抗活性，并在口服时显示镇痛作用。它们可用作治疗与N型钙通道相关的疼痛和各种疾病的治疗剂。